3,4-Epoxy-1,2,3,4-tetrahydrobenzene-1,2-diol
TL;DR: 3,4-Epoxy-1,2,3,4-tetrahydrobenzene-1,2-diol (CAS 95840-05-4) is a chemical compound with molecular formula C1=CC2C(O2)C(C1O)O and molecular weight 128.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-oxabicyclo[4.1.0]hept-4-ene-2,3-diol
Also Known As: 1,2-Bde, 3,4-Epoxy-1,2,3,4-tetrahydrobenzene-1,2-diol, 7-Oxabicyclo(4.1.0)hept-4-ene-2,3-diol, 7-oxabicyclo[4.1.0]hept-4-ene-2,3-diol, (+-)-syn-Benzene-1,2-diol-3,4-epoxide
| Molecular Formula | C1=CC2C(O2)C(C1O)O |
|---|---|
| Molecular Weight | 128.05 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.04735 |
| Heavy Atoms | 9 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 95840-05-4 |
|---|---|
| SMILES | C1=CC2C(O2)C(C1O)O |
| InChIKey | JKZWMSHRWLYMOD-UHFFFAOYSA-N |
Product Overview
3,4-Epoxy-1,2,3,4-tetrahydrobenzene-1,2-diol (CAS 95840-05-4), with molecular formula C1=CC2C(O2)C(C1O)O and molecular weight 128.05 g/mol. IUPAC: 7-oxabicyclo[4.1.0]hept-4-ene-2,3-diol.
Chemical Property Profile of 3,4-Epoxy-1,2,3,4-tetrahydrobenzene-1,2-diol
Property Insights of 3,4-Epoxy-1,2,3,4-tetrahydrobenzene-1,2-diol
The XLogP value of -1.1 indicates that 3,4-Epoxy-1,2,3,4-tetrahydrobenzene-1,2-diol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 53.0 Ų, 3,4-Epoxy-1,2,3,4-tetrahydrobenzene-1,2-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Epoxy-1,2,3,4-tetrahydrobenzene-1,2-diol has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,4-Epoxy-1,2,3,4-tetrahydrobenzene-1,2-diol?
The CAS number of 3,4-Epoxy-1,2,3,4-tetrahydrobenzene-1,2-diol is 95840-05-4.
What is the molecular formula of 3,4-Epoxy-1,2,3,4-tetrahydrobenzene-1,2-diol?
The molecular formula of 3,4-Epoxy-1,2,3,4-tetrahydrobenzene-1,2-diol is C1=CC2C(O2)C(C1O)O.
What is the molecular weight of 3,4-Epoxy-1,2,3,4-tetrahydrobenzene-1,2-diol?
The molecular weight of 3,4-Epoxy-1,2,3,4-tetrahydrobenzene-1,2-diol is 128.05 g/mol.
Where can I buy 3,4-Epoxy-1,2,3,4-tetrahydrobenzene-1,2-diol?
You can request a quote for 3,4-Epoxy-1,2,3,4-tetrahydrobenzene-1,2-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Epoxy-1,2,3,4-tetrahydrobenzene-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Epoxy-1,2,3,4-tetrahydrobenzene-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.